| CAS Number | 1501463-24-6 |
| Catalog Number | AG01C0HA |
| Chemical Name | 1-(2-Bromo-4-chlorophenyl)-1H-tetrazole |
| IUPAC Name | 1-(2-bromo-4-chlorophenyl)tetrazole |
| InChI | InChI=1S/C7H4BrClN4/c8-6-3-5(9)1-2-7(6)13-4-10-11-12-13/h1-4H |
| InChI Key | YXTXPITXKHTMDU-UHFFFAOYSA-N |
| MDL Number | MFCD24078674 |
| Molecular Formula | C7H4BrClN4 |
| Molecular Weight | 259.4905 |
| SMILES | C1=CC(=C(C=C1Cl)Br)N2C=NN=N2 |
| Synonyms | 1501463-24-6,
1-(2-bromo-4-chlorophenyl)-1h-tetrazole,
1-(2-bromo-4-chlorophenyl)-1H-1,2,3,4-tetrazole,
SCHEMBL8177591,
ZINC88123841,
AKOS019845497,
AS-44062,
Z2731710848,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.491g/mol |
| Monoisotopic Mass | 257.931g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number